3-(3-bromophenyl)benzenecarboximidamide

C13H11BrN2 — CID 6345195

IUPAC3-(3-bromophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2cccc(Br)c2)c1
InChIInChI=1S/C13H11BrN2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H3,15,16)
InChIKeyLSMPXPRBLPUXGK-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.40
Rot. Bonds2

About 3-(3-bromophenyl)benzenecarboximidamide

3-(3-bromophenyl)benzenecarboximidamide (PubChem CID 6345195) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-(3-bromophenyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(3-bromophenyl)benzenecarboximidamide
PubChem CID6345195
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name3-(3-bromophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2cccc(Br)c2)c1
InChIInChI=1S/C13H11BrN2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H3,15,16)
InChIKeyLSMPXPRBLPUXGK-UHFFFAOYSA-N
XLogP3.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)benzenecarboximidamide?
The IUPAC name of 3-(3-bromophenyl)benzenecarboximidamide (CID 6345195) is 3-(3-bromophenyl)benzenecarboximidamide.
What is the SMILES notation for 3-(3-bromophenyl)benzenecarboximidamide?
The canonical SMILES for 3-(3-bromophenyl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(-c2cccc(Br)c2)c1.
What is the InChIKey of 3-(3-bromophenyl)benzenecarboximidamide?
The InChIKey is LSMPXPRBLPUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H3,15,16).
What are the key properties of 3-(3-bromophenyl)benzenecarboximidamide?
3-(3-bromophenyl)benzenecarboximidamide has a molecular weight of 275.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)benzenecarboximidamide is sourced from PubChem (CID 6345195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).